(3-bromophenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate

Systemtic Name: (3-bromophenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Openeye Name: (3-bromophenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzenesulfonic acid (3-bromophenyl) ester IUPAC Name: (3-bromophenyl) 4-pyrrolidin-1-ylsulfonylbenzenesulfonate Traditional Name: 4-pyrrolidinosulfonylbenzenesulfonic acid (3-bromophenyl) ester Formula: C16H16BrNO5S2 MolecularWeight: 446.33594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H16BrNO5S2/c17-13-4-3-5-14(12-13)23-25(21,22)16-8-6-15(7-9-16)24(19,20)18-10-1-2-11-18/h3-9,12H,1-2,10-11H2